sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide

C146H277N7NaO44+ — CID 159463286

IUPACsodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide
SMILESCCCNC(=O)CCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)C(NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C.CO[C@@H]1O[C@H](C(=O)NCCCC[C@H](CC(=O)[C@@H](NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](C)[C@H]1O.[Na+]
InChIInChI=1S/C75H146N2O27.C39H73N3O9.C32H58N2O8.Na/c1-67(2)72(77-71(80)17-15-19-74(3,4)5)69(78)66-68(73(81)75(6,7)8)16-11-12-20-76-70(79)18-23-85-28-31-89-35-37-91-39-41-93-43-45-95-47-49-97-51-53-99-55-57-101-59-61-103-63-65-104-64-62-102-60-58-100-56-54-98-52-50-96-48-46-94-44-42-92-40-38-90-36-34-88-30-27-84-22-14-10-13-21-83-26-29-87-33-32-86-25-24-82-9;1-10-19-40-33(44)16-21-48-23-25-50-27-28-51-26-24-49-22-17-34(45)41-20-12-11-14-31(37(47)39(7,8)9)29-32(43)36(30(2)3)42-35(46)15-13-18-38(4,5)6;1-19(2)24(34-23(36)15-13-16-31(4,5)6)22(35)18-21(28(39)32(7,8)9)14-11-12-17-33-29(40)27-25(37)20(3)26(38)30(41-10)42-27;/h67-68,72H,10-66H2,1-9H3,(H,76,79)(H,77,80);30-31,36H,10-29H2,1-9H3,(H,40,44)(H,41,45)(H,42,46);19-21,24-27,30,37-38H,11-18H2,1-10H3,(H,33,40)(H,34,36);/q;;;+1/t68-,72?;31-,36+;20-,21+,24-,25-,26+,27-,30+;/m110./s1
InChIKeyYMLNQBRPNSNAMX-GGGYLJOUSA-N
MW2857.82 g/mol
LogP12.14
Rot. Bonds133

About sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide

sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide (PubChem CID 159463286) has the molecular formula C146H277N7NaO44+ and a molecular weight of 2857.82 g/mol. Its IUPAC name is sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Namesodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide
PubChem CID159463286
Molecular FormulaC146H277N7NaO44+
Molecular Weight2857.82 g/mol
Exact Mass2855.95
IUPAC Namesodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide
SMILESCCCNC(=O)CCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)C(NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C.CO[C@@H]1O[C@H](C(=O)NCCCC[C@H](CC(=O)[C@@H](NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](C)[C@H]1O.[Na+]
InChIInChI=1S/C75H146N2O27.C39H73N3O9.C32H58N2O8.Na/c1-67(2)72(77-71(80)17-15-19-74(3,4)5)69(78)66-68(73(81)75(6,7)8)16-11-12-20-76-70(79)18-23-85-28-31-89-35-37-91-39-41-93-43-45-95-47-49-97-51-53-99-55-57-101-59-61-103-63-65-104-64-62-102-60-58-100-56-54-98-52-50-96-48-46-94-44-42-92-40-38-90-36-34-88-30-27-84-22-14-10-13-21-83-26-29-87-33-32-86-25-24-82-9;1-10-19-40-33(44)16-21-48-23-25-50-27-28-51-26-24-49-22-17-34(45)41-20-12-11-14-31(37(47)39(7,8)9)29-32(43)36(30(2)3)42-35(46)15-13-18-38(4,5)6;1-19(2)24(34-23(36)15-13-16-31(4,5)6)22(35)18-21(28(39)32(7,8)9)14-11-12-17-33-29(40)27-25(37)20(3)26(38)30(41-10)42-27;/h67-68,72H,10-66H2,1-9H3,(H,76,79)(H,77,80);30-31,36H,10-29H2,1-9H3,(H,40,44)(H,41,45)(H,42,46);19-21,24-27,30,37-38H,11-18H2,1-10H3,(H,33,40)(H,34,36);/q;;;+1/t68-,72?;31-,36+;20-,21+,24-,25-,26+,27-,30+;/m110./s1
InChIKeyYMLNQBRPNSNAMX-GGGYLJOUSA-N
XLogP12.14
TPSA614.25 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds133
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002857.82
LogP ≤ 512.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide
CID 159061044
(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-6-oxononanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(tert-butylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide;(4R,7S)-7-(tert-butylamino)-4-(2,2-dimethylpropanoyl)-8-methyl-6-oxo-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]nonanamide
CID 158468451
(4R,7S)-4-acetyl-N-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methoxy-4-methyloxan-2-yl]methyl]-8-methyl-7-(methylamino)-6-oxononanamide;(4R,7S)-4-acetyl-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-8-methyl-7-(methylamino)-6-oxononanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;(2S,3S,4S,5R,6R)-N-[(5R,8S)-5-acetyl-9-methyl-8-(methylamino)-7-oxodecyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carboxamide;(4R,7S)-4-acetyl-8-methyl-7-(methylamino)-6-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 158103952
2-[3-[2-[2-[2-[3-[[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid;[4-[[(2R,5S)-5-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-[4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 162073537
[4-[[(2R,5S)-2-[4-[3-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-6-methyl-5-[(6-methyl-5-oxoheptanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 158402199
(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-(4,4-dimethylpentoxy)propanoylamino]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide
CID 163499254
(2S)-2-(tert-butylamino)-N-[(4S)-8-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]-2,2-dimethyl-3-oxooctan-4-yl]-3-methylbutanamide
CID 146394059
N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide
CID 164831434
N-[(3S,6R)-6-acetyl-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide
CID 144656165
3-[3,3-dimethylbutyl-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoyl]amino]-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]propanamide
CID 157208345
sodium;[4-[[(2R,5S)-2-[4-[3-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-6-methyl-5-(5-methylhexanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;N-[(3S,6R)-10-[3-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-6-(2-methylpropanoyl)-4-oxodecan-3-yl]-5-methylhexanamide;2-[[4-[[3-[[(3S,6R)-10-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]-2-methyl-6-(2-methylpropanoyl)-4-oxodecan-3-yl]amino]-3-oxopropyl]-(3-methylbutyl)amino]-4-oxobutanoyl]amino]ethanesulfonate
CID 162159366
N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(2S)-1-[[(4S)-1-(carbamoylamino)-6,6-dimethyl-5-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 134167238

Frequently Asked Questions

What is the IUPAC name of sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide?
The IUPAC name of sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide (CID 159463286) is sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide.
What is the SMILES notation for sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide?
The canonical SMILES for sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide is CCCNC(=O)CCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)[C@@H](NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C.COCCOCCOCCOCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](CC(=O)C(NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C.CO[C@@H]1O[C@H](C(=O)NCCCC[C@H](CC(=O)[C@@H](NC(=O)CCCC(C)(C)C)C(C)C)C(=O)C(C)(C)C)[C@@H](O)[C@H](C)[C@H]1O.[Na+].
What is the InChIKey of sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide?
The InChIKey is YMLNQBRPNSNAMX-GGGYLJOUSA-N. The full InChI is InChI=1S/C75H146N2O27.C39H73N3O9.C32H58N2O8.Na/c1-67(2)72(77-71(80)17-15-19-74(3,4)5)69(78)66-68(73(81)75(6,7)8)16-11-12-20-76-70(79)18-23-85-28-31-89-35-37-91-39-41-93-43-45-95-47-49-97-51-53-99-55-57-101-59-61-103-63-65-104-64-62-102-60-58-100-56-54-98-52-50-96-48-46-94-44-42-92-40-38-90-36-34-88-30-27-84-22-14-10-13-21-83-26-29-87-33-32-86-25-24-82-9;1-10-19-40-33(44)16-21-48-23-25-50-27-28-51-26-24-49-22-17-34(45)41-20-12-11-14-31(37(47)39(7,8)9)29-32(43)36(30(2)3)42-35(46)15-13-18-38(4,5)6;1-19(2)24(34-23(36)15-13-16-31(4,5)6)22(35)18-21(28(39)32(7,8)9)14-11-12-17-33-29(40)27-25(37)20(3)26(38)30(41-10)42-27;/h67-68,72H,10-66H2,1-9H3,(H,76,79)(H,77,80);30-31,36H,10-29H2,1-9H3,(H,40,44)(H,41,45)(H,42,46);19-21,24-27,30,37-38H,11-18H2,1-10H3,(H,33,40)(H,34,36);/q;;;+1/t68-,72?;31-,36+;20-,21+,24-,25-,26+,27-,30+;/m110./s1.
What are the key properties of sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide?
sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide has a molecular weight of 2857.82 g/mol, XLogP of 12.14, 133 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide is sourced from PubChem (CID 159463286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).